4-(2,5-dimethylphenyl)-1-(4-fluorophenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(2,5-dimethylphenyl)-1-(4-fluorophenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(2,5-dimethylphenyl)-1-(4-fluorophenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D302-0256 |
| Compound Name: | 4-(2,5-dimethylphenyl)-1-(4-fluorophenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 381.47 |
| Molecular Formula: | C21 H20 F N3 O S |
| Smiles: | Cc1ccc(C)c(c1)C1c2c(C)nn(c3ccc(cc3)F)c2NC(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5223 |
| logD: | 4.5222 |
| logSw: | -4.179 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.422 |
| InChI Key: | TTYXHCSELJJLTK-HXUWFJFHSA-N |